Chemical Properties of 1,1'-Binaphthalene, 3,3'-dimethyl- (CAS 34042-82-5)

InChI

InChI=1S/C22H18/c1-15-11-17-7-3-5-9-19(17)21(13-15)22-14-16(2)12-18-8-4-6-10-20(18)22/h3-14H,1-2H3

InChI Key

WSLHQYUWIBLCMQ-UHFFFAOYSA-N

Formula

C22H18

SMILES

Cc1cc(-c2cc(C)cc3ccccc23)c2ccccc2c1

Molecular Weight¹

282.38

CAS

34042-82-5

Other Names

• 1,1'-Binaphthyl, 3,3'-dimethyl-
• 3,3'-Dimethyl-1,1'-binaphthyl

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6061		Relay (1.0) Calculated Property
ΔfG°	533.96	kJ/mol	Joback Calculated Property
ΔfH°gas	259.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.30	kJ/mol	Joback Calculated Property
ΔvapH°	117.98	kJ/mol	Relay (1.0) Calculated Property
IE	[8.00; 8.20]	eV
IE	8.20 ± 0.05	eV	NIST
IE	8.00	eV	NIST
log10WS	-8.21		Relay (1.0) Calculated Property
logPoct/wat	6.277		Crippen Calculated Property
McVol	234.400	ml/mol	McGowan Calculated Property
Pc	1996.55	kPa	Joback Calculated Property
Tboil	732.70	K	Relay (1.0) Calculated Property
Tc	1017.54	K	Relay (1.0) Calculated Property
Tfus	419.58	K	Relay (1.0) Calculated Property
Vc	0.879	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[285.88; 723.55]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-9.06100e+01
Coefficient B			1.69064e+00
Coefficient C			-1.24068e-03
Coefficient D			3.64200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	285.88	J/mol×K	273.00	Calculated Property
Cp,gas	368.35	J/mol×K	353.78	Calculated Property
Cp,gas	439.67	J/mol×K	434.56	Calculated Property
Cp,gas	500.99	J/mol×K	515.33	Calculated Property
Cp,gas	553.47	J/mol×K	596.11	Calculated Property
Cp,gas	598.26	J/mol×K	676.89	Calculated Property
Cp,gas	636.52	J/mol×K	757.67	Calculated Property
Cp,gas	669.38	J/mol×K	838.44	Calculated Property
Cp,gas	698.01	J/mol×K	919.22	Calculated Property
Cp,gas	723.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010419; 0.0003595]	Pa×s	[506.02; 751.42]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.01247e+01
Coefficient B			1.64864e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			506.02
Temperature range, max.			751.42
η	0.0010419	Pa×s	506.02	Calculated Property
η	0.0008821	Pa×s	533.29	Calculated Property
η	0.0007589	Pa×s	560.55	Calculated Property
η	0.0006621	Pa×s	587.82	Calculated Property
η	0.0005847	Pa×s	615.09	Calculated Property
η	0.0005218	Pa×s	642.35	Calculated Property
η	0.0004700	Pa×s	669.62	Calculated Property
η	0.0004269	Pa×s	696.89	Calculated Property
η	0.0003905	Pa×s	724.15	Calculated Property
η	0.0003595	Pa×s	751.42	Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-Binaphthalene, 3,3'-dimethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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